methyl 4-[2-[1-[(4-bromophenyl)carbonyl-phenethyl-amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate

Systemtic Name: methyl 4-[2-[1-[(4-bromophenyl)carbonyl-phenethyl-amino]ethyl]-4-oxidanylidene-quinazolin-3-yl]butanoate Openeye Name: methyl 4-[2-[1-[(4-bromobenzoyl)-phenethyl-amino]ethyl]-4-oxo-quinazolin-3-yl]butanoate CAS Name: 4-[2-[1-[[(4-bromophenyl)-oxomethyl]-phenethylamino]ethyl]-4-oxo-3-quinazolinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[1-[(4-bromobenzoyl)-phenethylamino]ethyl]-4-oxoquinazolin-3-yl]butanoate Traditional Name: 4-[2-[1-[(4-bromobenzoyl)-phenethyl-amino]ethyl]-4-keto-quinazolin-3-yl]butyric acid methyl ester Formula: C30H30BrN3O4 MolecularWeight: 576.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(C1=NC2=CC=CC=C2C(=O)N1CCCC(=O)OC)N(CCC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H30BrN3O4/c1-21(28-32-26-12-7-6-11-25(26)30(37)34(28)19-8-13-27(35)38-2)33(20-18-22-9-4-3-5-10-22)29(36)23-14-16-24(31)17-15-23/h3-7,9-12,14-17,21H,8,13,18-20H2,1-2H3